SCHEMBL28264381

SCHEMBL28264381

N#Cc1ccc2[nH]c3c(-c4cc(-c5cc(C#N)cc6c5[nH]c5ccc(C#N)cc56)cc(-c5cc(C#N)cc6c5[nH]c5ccc(C#N)cc56)c4)cc(C#N)cc3c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.54
▸ CHUK O15111 1/20 0.48
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GSK3B P49841 2/20 0.42
▸ CDK5 Q00535 2/20 0.42
▸ CDK5R1 Q15078 2/20 0.42
▸ GSK3A P49840 1/20 0.42
▸ FASN P49327 1/20 0.42
▸ PARP1 P09874 1/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ PARP14 Q460N5 1/20 0.38
▸ CCNB2 O95067 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CCNA1 P78396 1/20 0.38
▸ CCNB3 Q8WWL7 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30523211 0.79 AR (0.55) ARCHUKMEN1KMT2AL3MBTL1
SCHEMBL29060637 0.79 AR (0.55) ARCHUKMEN1KMT2AL3MBTL1
SCHEMBL22745291 0.79 AR (0.55) ARCHUKMEN1KMT2AL3MBTL1
SCHEMBL29402283 0.78 CHUK (0.68) ARCHUKMEN1KMT2AL3MBTL1
SCHEMBL606784 0.78 CHUK (0.68) ARCHUKMEN1KMT2AL3MBTL1
SCHEMBL30545930 0.78 CHUK (0.68) ARCHUKMEN1KMT2AL3MBTL1
SCHEMBL28589834 0.77 CHUK (0.66) ARCHUKMEN1KMT2AL3MBTL1
SCHEMBL29047785 0.75 CHUK (0.60) ARCHUKMEN1KMT2AL3MBTL1
SCHEMBL18465987 0.74 AR (0.47) ARMEN1KMT2AGSK3BFASN
SCHEMBL3794091 0.73 AR (0.55) ARCHUKMEN1KMT2AL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109134882-A A kind of carbazyl hydrogen bond organic framework materials and its preparation method and application 福建师范大学 2019-01-04 — — CN disclosed
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